Information card for entry 4336452

Structure parameters

• Formula: C31 H23 Bi Br3 N3 O4
• Calculated formula: C31 H23 Bi Br3 N3 O4
• Title of publication: Luminescent Tris(8-hydroxyquinolates) of Bismuth(III)
• Authors of publication: Pauline J. Han; Arnold L. Rheingold; William C. Trogler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12033 - 12045
• a: 40.5434 ± 0.0017 Å
• b: 40.5434 ± 0.0017 Å
• c: 11.0916 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15789.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No